[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride

C12H23ClN2O — CID 119261191

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O.ClH/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10;/h10-11H,1-9,13H2;1H
InChIKeyQTAHAHPVUOWJAL-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.94
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride (PubChem CID 119261191) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
PubChem CID119261191
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H22N2O.ClH/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10;/h10-11H,1-9,13H2;1H
InChIKeyQTAHAHPVUOWJAL-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 119634302
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
CID 89308025
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride (CID 119261191) is [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride is Cl.NCC1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
The InChIKey is QTAHAHPVUOWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c13-9-11-7-4-8-14(11)12(15)10-5-2-1-3-6-10;/h10-11H,1-9,13H2;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride is sourced from PubChem (CID 119261191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).